HRID677794

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID6212

Chloroform

CHCl3

HCID8021

Diethylamine

C4H11N

HCID11346551

4-Quinolinemethanesulfonic acid, 1-ethyl-1,2-dihydro-2,2-dimethyl-

C14H19NO3S

结构：CCN1c2ccccc2C(CS(=O)(=O)N2CCC(C(=O)OC)CC2)=CC1(C)C

HCID12138183

未命名化合物

PRODUCTS

生成物

结构：CCN1c2ccccc2C(CS(=O)(=O)N(CC)CC)=CC1(C)C

HCID12138187

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a9849d1f41b4d7caefba6dead3946c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:30]([N:31]1[c:32]2[c:33]([cH:34][cH:35][cH:36][cH:37]2)[C:38]([CH2:39][S:40]([OH:41])(=[O:42])=[O:43])=[CH:44][C:45]1([CH3:46])[CH3:47])[CH3:48].[CH2:49]([NH:50][CH2:51][CH3:52])[CH3:53].[CH3:1][O:2][C:3]([CH:4]1[CH2:6][CH2:7][N:8]([S:11](=[O:12])(=[O:13])[CH2:14][C:15]2=[CH:16][C:17]([CH3:27])([CH3:28])[N:18]([CH2:25][CH3:26])[c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]32)[CH2:9][CH2:10]1)=[O:5].[CH3:58][CH2:59][OH:60].[CH:54]([Cl:55])([Cl:56])[Cl:57].[Cl-:29]>>[CH3:6][CH2:7][N:8]([CH2:9][CH3:10])[S:11](=[O:12])(=[O:13])[CH2:14][C:15]1=[CH:16][C:17]([CH3:27])([CH3:28])[N:18]([CH2:25][CH3:26])[c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]21